pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.31	IUPAC digitized pKa	1	0	CCOC(=O)[C@@H]1Nc2nccnc2C[NH2+]1	CCOC(=O)[C@H]1NCc2nccnc2N1	mol8189	CCOC(=O)C1NCc2nccnc2N1